ethyl 3-(4-ethylpiperazin-1-ylsulfonyl)-1H-pyrazole-4-carboxylate

ethyl 3-(4-ethylpiperazin-1-ylsulfonyl)-1H-pyrazole-4-carboxylate

Formula: C12H20N4O4S

SMILES: CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCN(CC)CC1

IUPAC: ethyl 3-[(4-ethylpiperazin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C12H20N4O4S/c1-3-15-5-7-16(8-6-15)21(18,19)11-10(9-13-14-11)12(17)20-4-2/h9H,3-8H2,1-2H3,(H,13,14)

Composition: C (45.56%), H (6.37%), N (17.71%), O (20.23%), S (10.13%)

Molar Mass: 316.38

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	316.120526314
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GIIUMCXFBJGJOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.58
Topological Polar Surface Area	95.6
Polarizability	30.67
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H20N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00